Molecular Dynamics Simulation Perception Study of the Binding Affinity Performance for Nano Synthesized 3–(4–Chlorophenyl)–5–(4–Fluorophenyl)–4–Phenyl–4,5–Dihydro–1,2,4–Oxadiazole and 3,5–Bis–(4–Chlorophenyl)–4–Phenyl–4,5–Dihydro 1,2,4–Oxadiazole on DNA/RNA in Human Cancer Cells by Biospectroscopic Methods and Techniques

Abstract

Considering the importance of oxadiazole derivatives as effective anti–cancer Nano drugs on cancer cells and various other therapeutic effects, in this research, the effect of new oxadiazole derivatives called 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole on single–stranded DNA/RNA in a solution. We studied the use of different spectroscopic methods. The present study investigated the effect of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole on single–stranded DNA/RNA in laboratory conditions. The results show that the absorption rate of single–stranded DNA/RNA increases due to the interaction with 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole at 210 and 260 (nm) wavelengths. The emission spectrum of single–stranded DNA/RNA increases in a concentration–dependent trend of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole, which indicates the binding of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole with chromophores present in single–stranded DNA/RNA. The present study investigated the effect of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole on single–stranded DNA/RNA in laboratory conditions. The results show that the absorption rate of single–stranded DNA/RNA increases due to the interaction with 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole at 210 and 260 (nm) wavelengths. The emission spectrum of single–stranded DNA/RNA increases in a process dependent on the concentration of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole, which indicates the binding of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole with chromophores present in single–stranded DNA/RNA. The results obtained from the effect of 3–(4–chlorophenyl)–5–(4–fluorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole and 3,5–bis–(4–chlorophenyl)–4–phenyl–4,5–dihydro–1,2,4–oxadiazole on single–stranded DNA/RNA can provide useful information in the field of designing anti–cancer Nano drugs with oxadiazole derivatives with more anti–tumor effect and less side effects.